General Information of the Compound
| Compound ID |
CP0530289
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| Compound Name |
N,3,3-trimethyl-N-[[5-(1,3-oxazol-2-yl)-2-[2-(1,2-oxazol-5-ylsulfamoyl)phenyl]phenyl]methyl]butanamide
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| Structure |
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| Formula |
C26H28N4O5S
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| Molecular Weight |
508.6
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| Canonical SMILES |
CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1ccno1)-c1ncco1)C(=O)CC(C)(C)C
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| InChI |
InChI=1S/C26H28N4O5S/c1-26(2,3)16-24(31)30(4)17-19-15-18(25-27-13-14-34-25)9-10-20(19)21-7-5-6-8-22(21)36(32,33)29-23-11-12-28-35-23/h5-15,29H,16-17H2,1-4H3
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| InChIKey |
IDLNVQZPQPDNDW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor